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Wed, 11 Sep 2024 02:46:14 GMT (envelope-from git) Date: Wed, 11 Sep 2024 02:46:14 GMT Message-Id: <202409110246.48B2kE2I090003@gitrepo.freebsd.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Yuri Victorovich Subject: git: f8aa1411e9a7 - main - science/cp2k{,-data}: update 2024.2 =?utf-8?Q?=E2=86=92?= 2024.3 List-Id: Commits to the main branch of the FreeBSD ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-main List-Help: List-Post: List-Subscribe: List-Unsubscribe: X-BeenThere: dev-commits-ports-main@freebsd.org Sender: owner-dev-commits-ports-main@FreeBSD.org MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: f8aa1411e9a7aeb48bef86f02e0da44acdad82fb Auto-Submitted: auto-generated The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=f8aa1411e9a7aeb48bef86f02e0da44acdad82fb commit f8aa1411e9a7aeb48bef86f02e0da44acdad82fb Author: Yuri Victorovich AuthorDate: 2024-09-11 02:33:15 +0000 Commit: Yuri Victorovich CommitDate: 2024-09-11 02:45:59 +0000 science/cp2k{,-data}: update 2024.2 → 2024.3 Reported by: portscout --- science/cp2k-data/Makefile | 2 +- science/cp2k-data/distinfo | 6 +++--- science/cp2k/Makefile | 11 ++++++----- science/cp2k/distinfo | 6 +++--- science/cp2k/pkg-plist | 2 +- 5 files changed, 14 insertions(+), 13 deletions(-) diff --git a/science/cp2k-data/Makefile b/science/cp2k-data/Makefile index 02a6eafcde24..7c907612d4d4 100644 --- a/science/cp2k-data/Makefile +++ b/science/cp2k-data/Makefile @@ -1,6 +1,6 @@ PORTNAME= cp2k-data DISTVERSIONPREFIX= v -DISTVERSION= 2024.2 +DISTVERSION= 2024.3 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/cp2k-data/distinfo b/science/cp2k-data/distinfo index cd2f39759670..19d6fc05ded2 100644 --- a/science/cp2k-data/distinfo +++ b/science/cp2k-data/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1724607028 -SHA256 (cp2k-cp2k-v2024.2_GH0.tar.gz) = 4fae172d2288939c5542bfb6423a4301dc44d7c93c84e3a1ec3e126c46256472 -SIZE (cp2k-cp2k-v2024.2_GH0.tar.gz) = 85448978 +TIMESTAMP = 1725945190 +SHA256 (cp2k-cp2k-v2024.3_GH0.tar.gz) = 2d439541b469ee75598ac934a9a3cd02b428e9d1bd26a1d110f706d453f146ef +SIZE (cp2k-cp2k-v2024.3_GH0.tar.gz) = 85449047 diff --git a/science/cp2k/Makefile b/science/cp2k/Makefile index bf80e89aabb5..06cf6c241377 100644 --- a/science/cp2k/Makefile +++ b/science/cp2k/Makefile @@ -1,7 +1,6 @@ PORTNAME= cp2k DISTVERSIONPREFIX= v -DISTVERSION= 2024.2 -PORTREVISION= 1 +DISTVERSION= 2024.3 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org @@ -23,12 +22,13 @@ RUN_DEPENDS= cp2k-data>0:science/cp2k-data TEST_DEPENDS= bash:shells/bash USES= cmake fortran localbase:ldflags python:build,test shebangfix tar:bz2 +USE_GCC= yes # OpenMP is used from both Forran and C code, therefore C code should be compiled with GCC, otherwise it fails at run-time (same in dbcsr) USE_GITHUB= yes SHEBANG_GLOB= *.py -GCC_VERSION= ${GCC_DEFAULT} # ${_USE_GCC} +GCC_VERSION= ${GCC_DEFAULT} MAKE_ARGS= XARCH=FreeBSD-gfortran VERSION=${VERSION} FC=gfortran${GCC_VERSION} CC=${CC} LD=gfortran${GCC_VERSION} \ DATA_DIR=${DATADIR} @@ -38,14 +38,15 @@ FFLAGS+= -D__NO_STATM_ACCESS BINARY_ALIAS= python=${PYTHON_CMD} python3=${PYTHON_CMD} OPTIONS_DEFINE= LIBINT MPIX -OPTIONS_DEFAULT= #LIBINT MPI +OPTIONS_DEFAULT= MPIX # LIBINT LIBINT_DESC= Use libint to evaluate integrals LIBINT_CMAKE_BOOL= CP2K_USE_LIBINT2 LIBINT_LIB_DEPENDS= libint2.so:science/libint2 LIBINT_BROKEN= missing fortran support -MPIX_CMAKE_BOOL= CP2K_USE_MPI +MPIX_DESC= Use OpenMPI +MPIX_CMAKE_BOOL= CP2K_USE_MPI MPIX_USES= mpi:mpich MPIX_LIB_DEPENDS= libscalapack.so:math/scalapack MPIX_VARS= EXE_VERSION=psmp diff --git a/science/cp2k/distinfo b/science/cp2k/distinfo index 4eea2ac0b6fa..7b098cd32dec 100644 --- a/science/cp2k/distinfo +++ b/science/cp2k/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1724605683 -SHA256 (cp2k-cp2k-v2024.2_GH0.tar.gz) = 4fae172d2288939c5542bfb6423a4301dc44d7c93c84e3a1ec3e126c46256472 -SIZE (cp2k-cp2k-v2024.2_GH0.tar.gz) = 85448978 +TIMESTAMP = 1725945245 +SHA256 (cp2k-cp2k-v2024.3_GH0.tar.gz) = 2d439541b469ee75598ac934a9a3cd02b428e9d1bd26a1d110f706d453f146ef +SIZE (cp2k-cp2k-v2024.3_GH0.tar.gz) = 85449047 diff --git a/science/cp2k/pkg-plist b/science/cp2k/pkg-plist index cab53f4c313f..bc4c988e1acf 100644 --- a/science/cp2k/pkg-plist +++ b/science/cp2k/pkg-plist @@ -1272,7 +1272,7 @@ lib/cmake/cp2k/modules/FindSCI.cmake lib/cmake/cp2k/modules/FindSuperLU.cmake lib/cmake/cp2k/modules/cp2k_utils.cmake lib/libcp2k.so -lib/libcp2k.so.2024.2 +lib/libcp2k.so.2024.3 libdata/pkgconfig/libcp2k.pc %%DATADIR%%/data/ALL_BASIS_SETS %%DATADIR%%/data/ALL_POTENTIALS